4-amino-3-(2-chlorophenoxy)-N-ethylbenzenesulfonamide

C14H15ClN2O3S — CID 82902167

IUPAC4-amino-3-(2-chlorophenoxy)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(Oc2ccccc2Cl)c1
InChIInChI=1S/C14H15ClN2O3S/c1-2-17-21(18,19)10-7-8-12(16)14(9-10)20-13-6-4-3-5-11(13)15/h3-9,17H,2,16H2,1H3
InChIKeyMKYKUIHXLOVTJJ-UHFFFAOYSA-N
MW326.81 g/mol
LogP3.01
Rot. Bonds5

About 4-amino-3-(2-chlorophenoxy)-N-ethylbenzenesulfonamide

4-amino-3-(2-chlorophenoxy)-N-ethylbenzenesulfonamide (PubChem CID 82902167) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 4-amino-3-(2-chlorophenoxy)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(2-chlorophenoxy)-N-ethylbenzenesulfonamide
PubChem CID82902167
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name4-amino-3-(2-chlorophenoxy)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(Oc2ccccc2Cl)c1
InChIInChI=1S/C14H15ClN2O3S/c1-2-17-21(18,19)10-7-8-12(16)14(9-10)20-13-6-4-3-5-11(13)15/h3-9,17H,2,16H2,1H3
InChIKeyMKYKUIHXLOVTJJ-UHFFFAOYSA-N
XLogP3.01
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-ethyl-3-(2-methylphenoxy)benzenesulfonamide
CID 82903326
4-amino-3-(2-chlorophenoxy)-N-methylbenzenesulfonamide
CID 82900666
4-chloro-3-ethoxy-N-ethylbenzenesulfonamide
CID 6459389
4-amino-N-ethyl-3-(3-methylbutan-2-yloxy)benzenesulfonamide
CID 82901044
4-amino-N-ethyl-3-(2-propoxyethoxy)benzenesulfonamide
CID 82900824
4-amino-3-(4-bromo-2-chlorophenoxy)-N-methylbenzenesulfonamide
CID 82902175
4-amino-N-ethyl-3-(3,3,3-trifluoropropoxy)benzenesulfonamide
CID 82954770
4-amino-3-cycloheptyloxy-N-ethylbenzenesulfonamide
CID 82902643
4-amino-N-ethyl-3-hydroxybenzenesulfonamide
CID 82901390
4-amino-N-ethyl-3-(4,4,4-trifluorobutoxy)benzenesulfonamide
CID 82902346
2-(2-chloro-4-ethylsulfonylphenoxy)-4-fluoroaniline
CID 69225847
N-(3-aminobutyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride
CID 119972685

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-chlorophenoxy)-N-ethylbenzenesulfonamide?
The IUPAC name of 4-amino-3-(2-chlorophenoxy)-N-ethylbenzenesulfonamide (CID 82902167) is 4-amino-3-(2-chlorophenoxy)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-(2-chlorophenoxy)-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-(2-chlorophenoxy)-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(N)c(Oc2ccccc2Cl)c1.
What is the InChIKey of 4-amino-3-(2-chlorophenoxy)-N-ethylbenzenesulfonamide?
The InChIKey is MKYKUIHXLOVTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-2-17-21(18,19)10-7-8-12(16)14(9-10)20-13-6-4-3-5-11(13)15/h3-9,17H,2,16H2,1H3.
What are the key properties of 4-amino-3-(2-chlorophenoxy)-N-ethylbenzenesulfonamide?
4-amino-3-(2-chlorophenoxy)-N-ethylbenzenesulfonamide has a molecular weight of 326.81 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-chlorophenoxy)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 82902167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).